(2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid Openeye Name: (2S)-5-(4-allylpiperazin-1-yl)-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-prop-2-enyl-1-piperazinyl)pentanoic acid IUPAC Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid Traditional Name: (2S)-5-(4-allylpiperazino)-2-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=CCN1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5/c1-2-10-22-11-13-23(14-12-22)18(24)9-8-17(19(25)26)21-20(27)28-15-16-6-4-3-5-7-16/h2-7,17H,1,8-15H2,(H,21,27)(H,25,26)/t17-/m0/s1